SCHEMBL1612296

SCHEMBL1612296

[C]#CC(C)c1c(C)cccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CYP1A2 P05177 3/20 0.36
CYP2A6 P11509 2/20 0.36
TSHR P16473 2/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SCN4A P35499 9/20 0.32
MAOA P21397 2/20 0.32
LMNA P02545 2/20 0.32
SCN1A P35498 2/20 0.32
SCN5A Q14524 2/20 0.32
SCN9A Q15858 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
NFKB1 P19838 2/20 0.32
MAOB P27338 1/20 0.32
CYP2C9 P11712 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3103212 0.79
SCHEMBL1612071 0.76 RAPGEF4 (0.33)
SCHEMBL1610443 0.76 ADRA2A (0.42) CA1CA2CA7CA9CYP1A2
SCHEMBL1612103 0.74 ESR1 (0.46) CA1CA2CA7CA9TSHR
SCHEMBL1611935 0.71 CA1 (0.36) CA1CA2CA7CA9CYP1A2
SCHEMBL11877948 0.71 CA1 (0.50) CA1CA2CA7CA9CYP1A2
SCHEMBL598366 0.71 CA1 (0.50) CA1CA2CA7CA9CYP1A2
Ammonia Solution, Strong SCHEMBL7990175 0.69 CA1 (0.48) CA1CA2CA7CA9CYP1A2
SCHEMBL1611313 0.69
SCHEMBL1610951 0.68

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 CA1 3989/4885CA2 3911/4885CA7 4298/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.